UCSF

ZINC36754062

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 15 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.34 1.63 -40.56 3 5 1 69 211.289 3
Lo Low (pH 4.5-6) -0.34 1.97 -113.08 4 5 2 71 212.297 3

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )